This example shows how to set up 125 water molecules, assuming that the Tip3p water topology and parameters have been previously read:
segment
name="WAT"
chain
molecule TIP3 number=125 end
end
end
A box with edge length 15.55 Å consisting
of 125 equilibrated water molecules is supplied in one of the test
case input files (file ``tipstest1.inp" in the ``test" directory).